SCHEMBL4830154

SCHEMBL4830154

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(N1CCOCC1)Cc1ccccc1-3

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.51
MMP12 P39900 1/20 0.51
NR1I2 O75469 5/20 0.44
SCN9A Q15858 4/20 0.39
OGFRL1 Q5TC84 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
KMO O15229 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14253427 0.90 NR1I2 (0.46) PRKCAMMP12NR1I2SCN9AOGFRL1
SCHEMBL3937533 0.87 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AOGFRL1
SCHEMBL4825585 0.86 PRKCA (0.50) PRKCAMMP12NR1I2SCN9AEGLN1
SCHEMBL14253779 0.86 PRKCA (0.50) PRKCAMMP12NR1I2SCN9AEGLN1
SCHEMBL5317827 0.85 OGFRL1 (0.35) PRKCAMMP12NR1I2OGFRL1
SCHEMBL13940189 0.84 PRKCA (0.48) PRKCAMMP12NR1I2SCN9APOLB
SCHEMBL13940155 0.84 PRKCA (0.48) PRKCAMMP12NR1I2SCN9APOLB
SCHEMBL4020494 0.84 PRKCA (0.48) PRKCAMMP12NR1I2SCN9APOLB
SCHEMBL4830061 0.83 PRKCA (0.55) PRKCAMMP12NR1I2SCN9AKMO
SCHEMBL394957 0.82 PRKCA (0.54) PRKCAMMP12NR1I2SCN9AKMO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885NR1I2 1013/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885NR1I2 1013/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.